SCHEMBL12468865

SCHEMBL12468865

CCCN(CCC)Cc1[c]nccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNA5 P22460 3/20 0.32
BCHE P06276 3/20 0.32
KCNN4 O15554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD3 P35462 2/20 0.32
KCNH2 Q12809 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
CRHR1 P34998 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNE1 P15382 1/20 0.30
CHRNB2 P17787 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15323165 0.87 HRH3 (0.36) HRH3POLBHTR1AKDM4EALDH1A1
SCHEMBL2257684 0.76
SCHEMBL732161 0.76
SCHEMBL3260107 0.75 ALDH1A1 (0.37) HTR1AKDM4EBCHEALDH1A1DRD3
SCHEMBL695229 0.73 L3MBTL1 (0.39) ALDH1A1KCNH2CYP2D6
SCHEMBL998683 0.72 HRH3 (0.42) HRH3POLBHTR1ABCHEALDH1A1
SCHEMBL5683250 0.71
SCHEMBL4584095 0.70 TDP1 (0.44) KDM4EALDH1A1KCNH2HSD17B10
SCHEMBL9013118 0.70 TDP1 (0.44) KDM4EALDH1A1KCNH2HSD17B10
SCHEMBL4585397 0.70 TDP1 (0.44) KDM4EALDH1A1KCNH2HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed